0 B10R0.71 BrCCCCCCCCCBr CS20559 [0,0,0,0,0,0|2,0,1]=3 1 B10R0.71 C=CCCCCCCCCBr CS20576 [0,0,0,0,0,0|2,0,0]=2 2 B10R0.71 C=COOOCCCCCC MC437734 [0,0,0,0,0,0|4,0,0]=4 3 B10R0.71 ClCCCCCCCCCCl CS20560 [0,0,0,0,0,0|2,0,1]=3 4 B10R0.71 ClCCCCOCCCCCl MC21038 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.45 C#CCCCCCCCO MC424005 [1,0,0,0,0,0|0,0,3]=4 6 B9R0.45 CCCCCCCCNC CS15827 [1,0,0,0,0,0|1,0,1]=3 7 B9R0.45 ClCCCCCCCCCl CS20556 [1,0,0,0,0,0|2,0,0]=3 8 B9R0.45 OCCCCCCCCBr CS14609 [1,0,0,0,0,0|1,0,1]=3 9 B9R0.45 OCCCCCCCCO CS20567 [1,0,0,0,0,0|1,0,1]=3 10 B11R0.3 C=COOOCCCCCCC MC437723 [0,1,0,0,0,0|3,0,0]=4 11 B11R0.3 CCCCCCCCNCCN MC106937 [0,1,0,0,0,0|1,0,1]=3 12 B11R0.3 CCCCCCCCOCCO MC437001 [0,1,0,0,0,0|0,0,2]=3 13 B11R0.3 CCCCCOCCOCCO MC436946 [0,1,0,0,0,0|1,0,2]=4 14 B11R0.3 O=CCCCCCCCCCBr MC114611 [0,1,0,0,0,0|0,0,0]=1 15 B11R0.148 CCCCCCC\C=C\C(=O)O MC424008 [0,1,0,0,0,0|0,0,2]=3 16 B11R0.148 COCCOCCOCC(=O)O MC10459 [0,1,0,0,0,0|3,0,0]=4 17 B11R0.148 O=C(O)CCCCCCCCBr CS21300 [0,1,0,0,0,0|1,0,0]=2 18 B8R0.4 CCCCCOCCO MC437002 [2,0,0,0,0,0|1,0,1]=4 19 B8R0.4 CCCCNCCCC CS11229 [2,0,0,0,0,0|1,0,0]=3 20 B8R0.4 OCCCCCCCBr CS13415 [2,0,0,0,0,0|1,0,1]=4 21 B10R0.1 CCCCCCC(C)CCBr MC112334 [1,1,0,0,0,0|1,0,0]=3 22 B10R0.1 CCCCCCC(C)CCO MC112333 [1,1,0,0,0,0|0,0,1]=3 23 B10R0.4 CCCCCCCCB(O)O MC31112 [1,1,0,0,0,0|1,0,1]=4 24 B10R0.4 CCCCCCCCC(C)C CS21688 [1,1,0,0,0,0|0,0,1]=3 25 B12R0.1 CCCCCCCCS(=O)CCO MC437764 [0,2,0,0,0,0|0,0,2]=4 26 B12R0.5 C=COOOCCCCCCCC MC438042 [0,2,0,0,0,0|2,0,0]=4 27 B12R0.5 OCCCCCCCCCCCBr MC10312 [0,2,0,0,0,0|0,0,2]=4 28 B12R0.5 OCCCCCCCCCCCO CS15877 [0,2,0,0,0,0|0,0,2]=4 29 B12R0.234 C=CCCCCCCCCC(=O)O MC41958 [0,2,0,0,0,0|0,0,1]=3 30 B12R0.234 O=C(O)\C=C\CCCCCCCO CS13683 [0,2,0,0,0,0|0,0,2]=4 31 B12R0.184 COC(=O)CCCCCCC(=O)O CS11965 [0,2,0,0,0,0|1,0,1]=4 32 B12R0.251 CCCCCCCCC(N)C(=O)O MC428037 [0,2,0,0,0,0|0,0,0]=2 33 B12R0.111 CCCCCCC(CN)CCCC MC431517 [0,2,0,0,0,0|1,0,1]=4 34 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] MC445022 [0,2,0,0,0,0|1,0,0]=3 35 B10R1.4 CCCC1=CCCCC1=O MC106174 [1,0,0,1,0,0|0,0,2]=4 36 B10R1.17 CCCCC1CCNCC1 CS14224 [1,0,0,1,0,0|1,0,1]=4 37 B10R1.17 CCNCC1CCCCC1 MC431466 [1,0,0,1,0,0|1,0,1]=4 38 B10R1.17 COCCC1CCCCN1 MC425896 [1,0,0,1,0,0|2,0,0]=4 39 B10R1.17 ICCCC1CCCCC1 MC111977 [1,0,0,1,0,0|1,0,0]=3 40 B10R1.20 OCC1CCCCC1CO MC31260 [1,0,0,1,0,0|1,0,1]=4 41 B10R1.29 N#CCCC1CCCC1=O MC106173 [1,0,0,1,0,0|1,0,1]=4 42 B12R1.308 CCOC(=O)C1CCCCC1=O CS13797 [0,1,0,1,0,0|1,0,1]=4 43 B12R1.318 CCOC(=O)CC1CCCC1=O CS21730 [0,1,0,1,0,0|1,0,1]=4 44 B12R1.75 COC1CCCNC1CC(C)=O MC445565 [0,1,0,1,0,0|2,0,0]=4 45 B12R1.252 CC(C)CCCC1CCCCN1 MC107816 [0,1,0,1,0,0|1,0,1]=4 46 B12R1.255 O=C(O)CCCCC1CCSS1 CS11282 [0,1,0,1,0,0|2,0,0]=4 47 B12R2.229 O=C1CCNCC2CCCN12 MC104229 [0,0,0,2,0,0|2,0,0]=4 48 B12R2.41 C1CCC2=NCCCN2CC1 MC41770 [0,0,0,2,0,0|2,0,0]=4 49 B12R2.455 O=C1CNCC2CCCN1C2 MC113159 [0,0,0,2,0,0|2,0,0]=4 50 B12R2.24 O=C1CCN2CCCCC2C1 MC107478 [0,0,0,2,0,0|1,0,0]=3 51 B12R2.24 O=C1CN2CCCCC2CN1 MC107480 [0,0,0,2,0,0|2,0,0]=4 52 B12R2.24 O=C1CNC2CCCCC2N1 MC442277 [0,0,0,2,0,0|2,0,0]=4 53 B12R2.24 O=C1CNC2CCCCC2N1 MC442278 [0,0,0,2,0,0|2,0,0]=4 54 B12R2.8 O=C1NCCC12CCCNC2 CS12927 [0,0,0,2,0,0|2,0,0]=4 55 B12R2.8 O=C1NCCC12CCNCC2 CS13329 [0,0,0,2,0,0|2,0,0]=4 56 B12R2.18 CN1CC2CCNCC2C1=O MC101948 [0,0,0,2,0,0|2,0,0]=4 57 B12R2.18 CN1CC2CCNCC2C1=O MC104594 [0,0,0,2,0,0|2,0,0]=4